Research workbench
The crystal structure of the human carbonic anhydrase xiv in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
Analyse The crystal structure of the human carbonic anhydrase xiv in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5CJF
- Type
- protein
- Length
- 267 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 14
- EC
- 4.2.1.1
- UniProt
- Q9ULX7
- Ligands
- 520, NAG, MAN, BMA, ZN, SO4
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 14 (EC 4.2.1.1) | protein | 267 | 15% helix, 28% strand | Q9ULX7 |
Ligands and binding sites
- 520 · 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 2 copies
- BMA · beta-D-mannopyranose · sugar
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 208 | 0.59 | 0.80 | 25 | 520, GOL |
| 2 | 103 | 0.40 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 5CJF · The crystal structure of the human carbonic anhydrase XIV in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ULX7 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 14 (Q9ULX7) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9ULX7
- Elsewhere: RCSB PDB 5CJF · PDBe 5CJF · UniProt Q9ULX7
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